28911-01-5
Product Name:
Triazolam
Formula:
C17H12Cl2N4
Synonyms:
8-Chloro-6-[2-chlorophenyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Tan crystals from 2-propanol |
| Melting Point | 233-235 °C |
| Solubility | 4.53 mg/L |
| Vapor Pressure | 4.5X10-9 mm Hg @ 25 °C /Estimated/ |
| LogP | 2.42 |
| LogS | -4.08 |
| Henry's Law Constant | Henry's Law constant = 7.2X10-12 atm-cu cm/mol @ 25 °C /Estimated/ |
| Collision Cross Section | 172.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 3017 3017 3008 3008 2992 3025 3007 3025 3017 2992 3000 3010 3017 3018 3020 3020 3023 3043 |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 5.0X10-12 cu cm/molec-sec @ 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 343.2 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 342.0439018 g/mol |
| Monoisotopic Mass | 342.0439018 g/mol |
| Topological Polar Surface Area | 43.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 472 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Triazolam is a triazolobenzodiazepine. It has a role as a sedative.